1-[2-(4-chloropyrazol-1-yl)ethyl]-6-methyl-4-(trifluoromethyl)pyridin-2-one

C12H11ClF3N3O — CID 72932086

IUPAC1-[2-(4-chloropyrazol-1-yl)ethyl]-6-methyl-4-(trifluoromethyl)pyridin-2-one
SMILESCc1cc(C(F)(F)F)cc(=O)n1CCn1cc(Cl)cn1
InChIInChI=1S/C12H11ClF3N3O/c1-8-4-9(12(14,15)16)5-11(20)19(8)3-2-18-7-10(13)6-17-18/h4-7H,2-3H2,1H3
InChIKeyPGYGSKBOVFFRAM-UHFFFAOYSA-N
MW305.69 g/mol
LogP2.73
Rot. Bonds3

About 1-[2-(4-chloropyrazol-1-yl)ethyl]-6-methyl-4-(trifluoromethyl)pyridin-2-one

1-[2-(4-chloropyrazol-1-yl)ethyl]-6-methyl-4-(trifluoromethyl)pyridin-2-one (PubChem CID 72932086) has the molecular formula C12H11ClF3N3O and a molecular weight of 305.69 g/mol. Its IUPAC name is 1-[2-(4-chloropyrazol-1-yl)ethyl]-6-methyl-4-(trifluoromethyl)pyridin-2-one.

Molecular Properties

Compound Name1-[2-(4-chloropyrazol-1-yl)ethyl]-6-methyl-4-(trifluoromethyl)pyridin-2-one
PubChem CID72932086
Molecular FormulaC12H11ClF3N3O
Molecular Weight305.69 g/mol
Exact Mass305.05
IUPAC Name1-[2-(4-chloropyrazol-1-yl)ethyl]-6-methyl-4-(trifluoromethyl)pyridin-2-one
SMILESCc1cc(C(F)(F)F)cc(=O)n1CCn1cc(Cl)cn1
InChIInChI=1S/C12H11ClF3N3O/c1-8-4-9(12(14,15)16)5-11(20)19(8)3-2-18-7-10(13)6-17-18/h4-7H,2-3H2,1H3
InChIKeyPGYGSKBOVFFRAM-UHFFFAOYSA-N
XLogP2.73
TPSA39.82 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500305.69
LogP ≤ 52.73
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 1-[2-(4-chloropyrazol-1-yl)ethyl]-6-methyl-4-(trifluoromethyl)pyridin-2-one?
The IUPAC name of 1-[2-(4-chloropyrazol-1-yl)ethyl]-6-methyl-4-(trifluoromethyl)pyridin-2-one (CID 72932086) is 1-[2-(4-chloropyrazol-1-yl)ethyl]-6-methyl-4-(trifluoromethyl)pyridin-2-one.
What is the SMILES notation for 1-[2-(4-chloropyrazol-1-yl)ethyl]-6-methyl-4-(trifluoromethyl)pyridin-2-one?
The canonical SMILES for 1-[2-(4-chloropyrazol-1-yl)ethyl]-6-methyl-4-(trifluoromethyl)pyridin-2-one is Cc1cc(C(F)(F)F)cc(=O)n1CCn1cc(Cl)cn1.
What is the InChIKey of 1-[2-(4-chloropyrazol-1-yl)ethyl]-6-methyl-4-(trifluoromethyl)pyridin-2-one?
The InChIKey is PGYGSKBOVFFRAM-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H11ClF3N3O/c1-8-4-9(12(14,15)16)5-11(20)19(8)3-2-18-7-10(13)6-17-18/h4-7H,2-3H2,1H3.
What are the key properties of 1-[2-(4-chloropyrazol-1-yl)ethyl]-6-methyl-4-(trifluoromethyl)pyridin-2-one?
1-[2-(4-chloropyrazol-1-yl)ethyl]-6-methyl-4-(trifluoromethyl)pyridin-2-one has a molecular weight of 305.69 g/mol, XLogP of 2.73, 3 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[2-(4-chloropyrazol-1-yl)ethyl]-6-methyl-4-(trifluoromethyl)pyridin-2-one is sourced from PubChem (CID 72932086), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).